Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GALR3 | O60755 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9857903 | 0.91 | CA5A (0.46) | CA5AALDH1A1KDM4EMEN1TSHR | |
| SCHEMBL10662709 | 0.88 | CA5A (0.49) | CA5AADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL9476992 | 0.87 | CA5A (0.53) | CA5AADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL9857464 | 0.86 | CA5A (0.44) | CA5AADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL10662727 | 0.86 | CA5A (0.52) | CA5AADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL9857450 | 0.86 | GRM2 (0.45) | CA5AADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL9634851 | 0.79 | HPGD (0.61) | HPGDALDH1A1SMN1; SMN2CYP1A2MEN1 | |
| SCHEMBL9857331 | 0.78 | TP53 (0.41) | CA5AADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL9857352 | 0.78 | TP53 (0.43) | ADORA2AADORA1ADORA3ADORA2BHPGD | |
| SCHEMBL10670780 | 0.76 | TP53 (0.58) | CA5AALDH1A1SMN1; SMN2TP53CYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0199262-B1 | FLUORINATED BENZYL TRIAZOLE COMPOUNDS | CIBA-GEIGY AG (CH) | 1991-02-27 | — | — | EP | claimed |
| US-4789680-A | Aralkyltriazole compounds | CIBA-GEIGY CORPORATION (US) | 1988-12-06 | — | — | US | claimed |
| EP-0199262-A2 | Fluorinated benzyl triazole compounds | CIBA-GEIGY AG (CH) | 1986-10-29 | — | — | EP | claimed |
| EP-0199262-B1 | FLUORINATED BENZYL TRIAZOLE COMPOUNDS | CIBA-GEIGY AG (CH) | 1991-02-27 | — | — | EP | disclosed |
| US-4789680-A | Aralkyltriazole compounds | CIBA-GEIGY CORPORATION (US) | 1988-12-06 | — | — | US | disclosed |
| EP-0199262-A2 | Fluorinated benzyl triazole compounds | CIBA-GEIGY AG (CH) | 1986-10-29 | — | — | EP | disclosed |